Chemical Data Processing Library C++ API - Version 1.2.0
ReactionRole.hpp
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1 /*
2  * ReactionRole.hpp
3  *
4  * This file is part of the Chemical Data Processing Toolkit
5  *
6  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
7  *
8  * This library is free software; you can redistribute it and/or
9  * modify it under the terms of the GNU Lesser General Public
10  * License as published by the Free Software Foundation; either
11  * version 2 of the License, or (at your option) any later version.
12  *
13  * This library is distributed in the hope that it will be useful,
14  * but WITHOUT ANY WARRANTY; without even the implied warranty of
15  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
16  * Lesser General Public License for more details.
17  *
18  * You should have received a copy of the GNU Lesser General Public License
19  * along with this library; see the file COPYING. If not, write to
20  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
21  * Boston, MA 02111-1307, USA.
22  */
23 
29 #ifndef CDPL_CHEM_REACTIONROLE_HPP
30 #define CDPL_CHEM_REACTIONROLE_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
43  namespace ReactionRole
44  {
45 
49  constexpr unsigned int NONE = 0x0;
50 
54  constexpr unsigned int REACTANT = 0x1;
55 
59  constexpr unsigned int AGENT = 0x2;
60 
64  constexpr unsigned int CATALYST = AGENT;
65 
69  constexpr unsigned int PRODUCT = 0x4;
70 
74  constexpr unsigned int ALL = REACTANT | AGENT | PRODUCT;
75  } // namespace ReactionRole
76  } // namespace Chem
77 } // namespace CDPL
78 
79 #endif // CDPL_CHEM_REACTIONROLE_HPP
constexpr unsigned int NONE
Specifies that a molecule is not a reaction component.
Definition: ReactionRole.hpp:49
constexpr unsigned int CATALYST
Equivalent to ReactionRole::AGENT.
Definition: ReactionRole.hpp:64
constexpr unsigned int PRODUCT
Specifies the products of a reaction.
Definition: ReactionRole.hpp:69
constexpr unsigned int AGENT
Specifies the agents of a reaction (e.g. solvent or catalyst).
Definition: ReactionRole.hpp:59
constexpr unsigned int ALL
Specifies reactants, agents and products of a reaction.
Definition: ReactionRole.hpp:74
constexpr unsigned int REACTANT
Specifies the reactants of a reaction.
Definition: ReactionRole.hpp:54
The namespace of the Chemical Data Processing Library.